Vibrational Frequencies calculated at MP4/cc-pVDZ
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A' |
3226 |
3119 |
|
|
|
|
| 2 |
A' |
3096 |
2993 |
|
|
|
|
| 3 |
A' |
2133 |
2062 |
|
|
|
|
| 4 |
A' |
1644 |
1590 |
|
|
|
|
| 5 |
A' |
1475 |
1426 |
|
|
|
|
| 6 |
A' |
1215 |
1175 |
|
|
|
|
| 7 |
A' |
917 |
886 |
|
|
|
|
| 8 |
A' |
601 |
581 |
|
|
|
|
| 9 |
A' |
240 |
233 |
|
|
|
|
| 10 |
A" |
1059 |
1024 |
|
|
|
|
| 11 |
A" |
765 |
739 |
|
|
|
|
| 12 |
A" |
346 |
334 |
|
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 8357.7 cm
-1
Scaled (by 0.9669) Zero Point Vibrational Energy (zpe) 8081.1 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.